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3,7-Bis(10-hexyldibenzothiazine-3-yl)-10-hexyldibenzothiazine
SpectraBase Compound ID GQbYksbKJdI
InChI InChI=1S/C54H59N3S3/c1-4-7-10-17-32-55-43-20-13-15-22-49(43)58-51-35-39(24-28-45(51)55)41-26-30-47-53(37-41)60-54-38-42(27-31-48(54)57(47)34-19-12-9-6-3)40-25-29-46-52(36-40)59-50-23-16-14-21-44(50)56(46)33-18-11-8-5-2/h13-16,20-31,35-38H,4-12,17-19,32-34H2,1-3H3
InChIKey VEUSLVWOFSUAID-UHFFFAOYSA-N
Mol Weight 846.3 g/mol
Molecular Formula C54H59N3S3
Exact Mass 845.387112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdMOIuT7LYY
Name 3,7-Bis(10-hexyldibenzothiazine-3-yl)-10-hexyldibenzothiazine
Alternate Name(s) 10-hexyl-3,7-bis(10-hexyl-10H-phenothiazin-3-yl)-10H-phenothiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H59N3S3
InChI InChI=1S/C54H59N3S3/c1-4-7-10-17-32-55-43-20-13-15-22-49(43)58-51-35-39(24-28-45(51)55)41-26-30-47-53(37-41)60-54-38-42(27-31-48(54)57(47)34-19-12-9-6-3)40-25-29-46-52(36-40)59-50-23-16-14-21-44(50)56(46)33-18-11-8-5-2/h13-16,20-31,35-38H,4-12,17-19,32-34H2,1-3H3
InChIKey VEUSLVWOFSUAID-UHFFFAOYSA-N
Molecular Weight 846.267 g/mol
SMILES c12N(c3c(Sc1cc(-c1cc4Sc5ccccc5N(c4cc1)CCCCCC)cc2)cc(cc3)-c1cc2Sc3ccccc3N(c2cc1)CCCCCC)CCCCCC
SPLASH splash10-0002-0000000090-78e54c993989326ceb27
Source of Spectrum AT-42-8624-15
Wiley ID 855343